5,6-Dichloronicotinic acid - CAS 41667-95-2

Catalog:	BB024929
Product Name:	5,6-Dichloronicotinic acid
CAS:	41667-95-2
Synonyms:	5,6-dichloropyridine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5,6-dichloropyridine-3-carboxylic acid
Description:	5,6-Dichloronicotinic Acid functions as a multifunctional agent for Alzheimer treatment.
Molecular Weight:	192.00
Molecular Formula:	C6H3Cl2NO2
Canonical SMILES:	C1=C(C=NC(=C1Cl)Cl)C(=O)O
InChI:	InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChI Key:	RNRLTTNKVLFZJS-UHFFFAOYSA-N
Boiling Point:	342.1 °C at 760 mmHg
Density:	1.612 g/cm³
Appearance:	White to off-white crystalline powder
MDL:	MFCD00075181
LogP:	2.08660

Publication Number	Title	Priority Date
WO-2021175959-A1	Process for the preparation of 5-chloro-3-alkylsulfanyl-pyridine-2-carboxylic acid amides and carboxylates	20200304
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
WO-2021105399-A1	Process for the preparation of 5-chloro-pyridine-2-carboxylic acids and carboxylates with 3-sulfur containing substituents	20191127
WO-2021079962-A1	Pharmaceutical composition for prevention and/or treatment of hearing loss	20191024
JP-2021070688-A	Pharmaceutical composition for the prevention and / or treatment of deafness	20191024

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.9540837
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.9540837
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2